Microscopic theory of ionic motion in crystals

Abstract The drive towards an electricity based economy and emerging green technologies has resulted in a tremendous push to create safer and more efficient energy storage devices.1–3 The development of solid-state batteries is a major effort in this direction4,5. Unlike the case of a traditional electrochemical apparatus, in solid-state batteries ions move through a solid crystalline electrolyte. Ionic motion is thus intimately linked to the condensed matter description of the system – that is, the periodic electronic and ionic properties of the crystal - and is not adequately described by the existing electrochemical tenet. In the present article, we propose a microscopic, first-principles, description of the ionic conduction in crystals. This allows us to understand the ideal characteristics of materials for ionic conduction in general, and for solid-electrolyte applications in particular. Using ab initio calculations, we show that our formalism results in ionic mobilities consistent with experiments for several materials. Our work opens the possibility for the development of solid electrolytes based on fundamental physical principles rather than empirical descriptions of the underlying processes.

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Cathode–Sulfide Solid Electrolyte Interfacial Instability: Challenges and Solutions

Frontiers in Energy Research ◽

10.3389/fenrg.2020.570754 ◽

2020 ◽

Author(s):

Teerth Brahmbhatt ◽

◽

Guang Yang ◽

Ethan Self ◽

Jagjit Nanda ◽

...

Keyword(s):

Energy Storage ◽

Solid State ◽

Ionic Conductivity ◽

Energy Density ◽

Interfacial Instability ◽

Energy Storage Devices ◽

Storage Devices ◽

Solid State Batteries ◽

All Solid State Batteries ◽

Solid State Electrolytes

All-solid-state batteries are a candidate for next-generation energy-storage devices due to potential improvements in energy density and safety compared to current battery technologies. Due to their high ionic conductivity and potential scalability through slurry processing routes, sulfide solid-state electrolytes are promising to replace traditional liquid electrolytes and enable All-solid-state batteries, but stability of cathode-sulfide solid-state electrolytes interfaces requires further improvement. Herein we review common issues encountered at cathode-sulfide SE interfaces and strategies to alleviate these issues.

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Building better all-solid-state batteries with Li-garnet solid electrolytes and metalloid anodes

Journal of Materials Chemistry A ◽

10.1039/c9ta04999a ◽

2019 ◽

Vol 7 (37) ◽

pp. 21299-21308 ◽

Cited By ~ 15

Author(s):

Semih Afyon ◽

Kostiantyn V. Kravchyk ◽

Shutao Wang ◽

Jan van den Broek ◽

Christian Hänsel ◽

...

Keyword(s):

Energy Storage ◽

Solid State ◽

Solid Electrolytes ◽

Energy Storage Devices ◽

Storage Devices ◽

The Core ◽

Solid State Batteries ◽

All Solid State Batteries

All-solid-state batteries provide new opportunities to realize safe, non-flammable, and temperature-tolerant energy storage and display a huge potential to be the core of future energy storage devices.

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Further Evidence for Energy Landscape Flattening in the Superionic Argyrodites Li6+xP1−xMxS5I (M = Si, Ge, Sn)

10.26434/chemrxiv.8109506.v2 ◽

2019 ◽

Author(s):

Saneyuki Ohno ◽

Bianca Helm ◽

Till Fuchs ◽

Georg Dewald ◽

Marvin Kraft ◽

...

Keyword(s):

Solid State ◽

Activation Barrier ◽

Energy Landscape ◽

General Mechanism ◽

Ionic Conductors ◽

Energy Storage Devices ◽

Ion Conductor ◽

Storage Devices ◽

Open Questions ◽

Sudden Decrease

All-solid-state batteries are promising candidates for next-generation energy storage devices. Although the list of candidate materials for solid electrolytes has grown in the past decade, there are still many open questions concerning the mechanisms behind ionic migration in materials. In particular, the lithium thiophosphate family of materials has shown very promising properties for solid-state battery applications. Recently, the Ge-substituted Li6PS5I argyrodite was shown to be a very fast Li-ion conductor, despite the poor ionic conductivity of the unsubstituted Li6PS5I. Therein, the conductivity was enhanced by over three orders of magnitude due to the emergence of I−/S2−exchange, i.e.site-disorder, which led to a sudden decrease of the activation barrier with a concurrent flattening of the energy landscapes. Inspired by this work, two series of elemental substitutions in Li6+xP1−xMxS5I (M= Si and Sn) were investigated in this study and compared to the Ge-analogue. A sharp reduction in the activation energy was observed at the same M4+/P5+composition as previously found in the Ge-analogue, suggesting a more general mechanism at play. Furthermore, structural analyses with X-ray and neutron diffraction indicate that similar changes in the Li-sublattice occur despite a significant variation in the size of the substituents, suggesting that in the argyrodites, the lithium substructure is most likely influenced by the occurring Li+– Li+interactions. This work provides further evidence that the energy landscape of ionic conductors can be tailored by inducing local disorder.

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Flexible all-solid-state fiber-shaped Ni–Fe batteries with high electrochemical performance

Journal of Materials Chemistry A ◽

10.1039/c8ta09822k ◽

2019 ◽

Vol 7 (2) ◽

pp. 520-530 ◽

Cited By ~ 31

Author(s):

Qiulong Li ◽

Qichong Zhang ◽

Chenglong Liu ◽

Juan Sun ◽

Jiabin Guo ◽

...

Keyword(s):

Energy Storage ◽

Solid State ◽

Electrochemical Performance ◽

High Capacity ◽

Core Shell ◽

Next Generation ◽

Energy Storage Devices ◽

Storage Devices

The fiber-shaped Ni–Fe battery takes advantage of high capacity of hierarchical CoP@Ni(OH)2 NWAs/CNTF core–shell heterostructure and spindle-like α-Fe2O3/CNTF electrodes to yield outstanding electrochemical performance, demonstrating great potential for next-generation portable wearable energy storage devices.

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Three-dimensional MXene/BCN Microflowers for Wearable All-solid-state microsupercapacitors

Journal of Materials Chemistry C ◽

10.1039/d1tc02884g ◽

2021 ◽

Author(s):

Dan Tu ◽

Wenyao Yang ◽

Yi Li ◽

Yujiu Zhou ◽

LiuWei Shi ◽

...

Keyword(s):

Energy Storage ◽

Solid State ◽

Three Dimensional ◽

Energy Storage Devices ◽

Flexible Electrode ◽

Storage Devices

Abstract: Modified MXene (Ti3C2Tx) is attractive as a flexible electrode for wearable energy storage devices. In this work, a convenient and effective method was proposed to change the conventional 2D...

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Design of all-solid-state hybrid supercapacitor based on mesoporous CoSnO3@RGO nanorods and B-doped RGO nanosheets grown on Ni foam for energy storage devices of high energy density

Applied Surface Science ◽

10.1016/j.apsusc.2020.148354 ◽

2020 ◽

pp. 148354

Author(s):

T. Kavinkumar ◽

Hong H. Lee ◽

Do-Heyoung Kim

Keyword(s):

Energy Storage ◽

Solid State ◽

Energy Density ◽

High Energy ◽

High Energy Density ◽

Hybrid Supercapacitor ◽

Ni Foam ◽

Energy Storage Devices ◽

Storage Devices

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Synthesis and interface modification of oxide solid-state electrolyte-based all-solid-state lithium-ion batteries: Advances and perspectives

Functional Materials Letters ◽

10.1142/s1793604721300024 ◽

2020 ◽

pp. 2130002

Author(s):

Linchun He ◽

Jin An Sam Oh ◽

Jun Jie Jason Chua ◽

Henghui Zhou

Keyword(s):

Solid State ◽

Interface Reaction ◽

Lithium Ion ◽

Oxide Ceramic ◽

Energy Storage Devices ◽

Solid State Electrolyte ◽

Interface Modification ◽

Storage Devices ◽

The One ◽

Safety And Stability

All-solid-state Li-ion batteries (ASSLiBs) are considered as promising next-generation energy storage devices, and the one that is based on oxide ceramic solid-state electrolyte (SSE) has attracted much attention for its high safety and stability in ambient conduction compared with that of used sulfur and polymer SSEs. However, the undeformable nature of the ceramic SSEs brings new issues such as poor interface bonding, limited contact area and limited cathode utilization for the ASSLiBs. In addition, the interface reaction and resistance are also obstacles for ASSLiBs application. In this review, we focus on the synthesis and electrochemical properties, interface modification and failure mechanism of ASSLiBs. Finally, perspectives of future researches on the ceramic SSEs-based ASSLiBs are discussed.

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Understanding the reaction mechanism and performances of 3d transition metal cathodes for all-solid-state fluoride ion batteries

Journal of Materials Chemistry A ◽

10.1039/d0ta08824b ◽

2021 ◽

Vol 9 (1) ◽

pp. 406-412

Author(s):

Datong Zhang ◽

Kentaro Yamamoto ◽

Aika Ochi ◽

Yanchang Wang ◽

Takahiro Yoshinari ◽

...

Keyword(s):

Energy Storage ◽

Reaction Mechanism ◽

Solid State ◽

Transition Metal ◽

Cathode Materials ◽

High Energy ◽

Fluoride Ion ◽

Energy Storage Devices ◽

Storage Devices

Fluoride ion batteries (FIBs) are regarded as promising energy storage devices, and it is important and urgent to develop cathode materials with high energy densities for use in FIBs.

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Recycling Strategies for Ceramic All-Solid-State Batteries—Part I: Study on Possible Treatments in Contrast to Li-Ion Battery Recycling

Metals ◽

10.3390/met10111523 ◽

2020 ◽

Vol 10 (11) ◽

pp. 1523

Author(s):

Lilian Schwich ◽

Michael Küpers ◽

Martin Finsterbusch ◽

Andrea Schreiber ◽

Dina Fattakhova-Rohlfing ◽

...

Keyword(s):

Energy Storage ◽

Solid State ◽

Energy Density ◽

Lithium Ion ◽

High Energy ◽

High Energy Density ◽

Future Research ◽

Energy Storage Devices ◽

Solid State Batteries ◽

All Solid State Batteries

In the coming years, the demand for safe electrical energy storage devices with high energy density will increase drastically due to the electrification of the transportation sector and the need for stationary storage for renewable energies. Advanced battery concepts like all-solid-state batteries (ASBs) are considered one of the most promising candidates for future energy storage technologies. They offer several advantages over conventional Lithium-Ion Batteries (LIBs), especially with regard to stability, safety, and energy density. Hardly any recycling studies have been conducted, yet, but such examinations will play an important role when considering raw materials supply, sustainability of battery systems, CO2 footprint, and general strive towards a circular economy. Although different methods for recycling LIBs are already available, the transferability to ASBs is not straightforward due to differences in used materials and fabrication technologies, even if the chemistry does not change (e.g., Li-intercalation cathodes). Challenges in terms of the ceramic nature of the cell components and thus the necessity for specific recycling strategies are investigated here for the first time. As a major result, a recycling route based on inert shredding, a subsequent thermal treatment, and a sorting step is suggested, and transferring the extracted black mass to a dedicated hydrometallurgical recycling process is proposed. The hydrometallurgical approach is split into two scenarios differing in terms of solubility of the ASB-battery components. Hence, developing a full recycling concept is reached by this study, which will be experimentally examined in future research.

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